3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine

C11H19ClN4O2 — CID 62870340

IUPAC3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
SMILESCCCOc1nc(Cl)nc(OCCCN(C)C)n1
InChIInChI=1S/C11H19ClN4O2/c1-4-7-17-10-13-9(12)14-11(15-10)18-8-5-6-16(2)3/h4-8H2,1-3H3
InChIKeyQTAHATJUTITWAS-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.64
Rot. Bonds8

About 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine

3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine (PubChem CID 62870340) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
PubChem CID62870340
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC Name3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
SMILESCCCOc1nc(Cl)nc(OCCCN(C)C)n1
InChIInChI=1S/C11H19ClN4O2/c1-4-7-17-10-13-9(12)14-11(15-10)18-8-5-6-16(2)3/h4-8H2,1-3H3
InChIKeyQTAHATJUTITWAS-UHFFFAOYSA-N
XLogP1.64
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 55124601
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine
CID 62868290
4-chloro-6-[3-(dimethylamino)propoxy]-N-ethyl-1,3,5-triazin-2-amine
CID 80871228
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol
CID 62870657
2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
2-chloro-4-ethoxy-6-hexoxy-1,3,5-triazine
CID 62857023
2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine
CID 62857809
4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine
CID 80870973
2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine
CID 62865803
4-chloro-6-[2-(dimethylamino)ethoxy]-N-ethyl-1,3,5-triazin-2-amine
CID 80871608
2-N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950548
N-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62862613

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine (CID 62870340) is 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine is CCCOc1nc(Cl)nc(OCCCN(C)C)n1.
What is the InChIKey of 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine?
The InChIKey is QTAHATJUTITWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2/c1-4-7-17-10-13-9(12)14-11(15-10)18-8-5-6-16(2)3/h4-8H2,1-3H3.
What are the key properties of 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine?
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine has a molecular weight of 274.75 g/mol, XLogP of 1.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 62870340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).